3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide

C22H28N2O3 — CID 110357424

IUPAC3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-12-11-18(15-21(20)27-2)22(25)23-16-19(17-9-5-3-6-10-17)24-13-7-4-8-14-24/h3,5-6,9-12,15,19H,4,7-8,13-14,16H2,1-2H3,(H,23,25)
InChIKeyZJPKYWFDQSIBTR-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.66
Rot. Bonds7

About 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide

3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide (PubChem CID 110357424) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
PubChem CID110357424
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccccc2)N2CCCCC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-20-12-11-18(15-21(20)27-2)22(25)23-16-19(17-9-5-3-6-10-17)24-13-7-4-8-14-24/h3,5-6,9-12,15,19H,4,7-8,13-14,16H2,1-2H3,(H,23,25)
InChIKeyZJPKYWFDQSIBTR-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
2-(3,4-dimethoxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179547
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3,4-dimethoxybenzamide
CID 42457132
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17012253
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
3-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 110496641
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide (CID 110357424) is 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCC(c2ccccc2)N2CCCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
The InChIKey is ZJPKYWFDQSIBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-12-11-18(15-21(20)27-2)22(25)23-16-19(17-9-5-3-6-10-17)24-13-7-4-8-14-24/h3,5-6,9-12,15,19H,4,7-8,13-14,16H2,1-2H3,(H,23,25).
What are the key properties of 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide?
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 110357424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).